(2,4-dimethoxyphenyl)-(1-ethyl-4-methoxypyrazol-5-yl)methanamine

C15H21N3O3 — CID 105047931

IUPAC(2,4-dimethoxyphenyl)-(1-ethyl-4-methoxypyrazol-5-yl)methanamine
SMILESCCn1ncc(OC)c1C(N)c1ccc(OC)cc1OC
InChIInChI=1S/C15H21N3O3/c1-5-18-15(13(21-4)9-17-18)14(16)11-7-6-10(19-2)8-12(11)20-3/h6-9,14H,5,16H2,1-4H3
InChIKeyTWJAOEVXZVDJBF-UHFFFAOYSA-N
MW291.35 g/mol
LogP1.98
Rot. Bonds6

About (2,4-dimethoxyphenyl)-(1-ethyl-4-methoxypyrazol-5-yl)methanamine

(2,4-dimethoxyphenyl)-(1-ethyl-4-methoxypyrazol-5-yl)methanamine (PubChem CID 105047931) has the molecular formula C15H21N3O3 and a molecular weight of 291.35 g/mol. Its IUPAC name is (2,4-dimethoxyphenyl)-(1-ethyl-4-methoxypyrazol-5-yl)methanamine.

Molecular Properties

Compound Name(2,4-dimethoxyphenyl)-(1-ethyl-4-methoxypyrazol-5-yl)methanamine
PubChem CID105047931
Molecular FormulaC15H21N3O3
Molecular Weight291.35 g/mol
Exact Mass291.16
IUPAC Name(2,4-dimethoxyphenyl)-(1-ethyl-4-methoxypyrazol-5-yl)methanamine
SMILESCCn1ncc(OC)c1C(N)c1ccc(OC)cc1OC
InChIInChI=1S/C15H21N3O3/c1-5-18-15(13(21-4)9-17-18)14(16)11-7-6-10(19-2)8-12(11)20-3/h6-9,14H,5,16H2,1-4H3
InChIKeyTWJAOEVXZVDJBF-UHFFFAOYSA-N
XLogP1.98
TPSA71.53 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500291.35
LogP ≤ 51.98
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Related Compounds

(2,4-dimethoxyphenyl)-(1-ethyl-4-methoxypyrazol-5-yl)methanol
CID 114634383
(1-ethyl-4-methoxypyrazol-5-yl)-(2,3,4-trifluorophenyl)methanamine
CID 105047748
1-(4-chloro-1-ethylpyrazol-5-yl)-1-(2,4-dimethoxyphenyl)-N-methylmethanamine
CID 105040438
(1-ethyl-4-methoxypyrazol-5-yl)-(4-methylthiophen-3-yl)methanamine
CID 114658384
(3,4-difluorophenyl)-(1-ethyl-4-methoxypyrazol-5-yl)methanamine
CID 114646610
(3-bromo-4-fluorophenyl)-(1-ethyl-4-methoxypyrazol-5-yl)methanamine
CID 114660068
(2,6-dichlorophenyl)-(1-ethyl-4-methoxypyrazol-5-yl)methanamine
CID 105047710
(2,6-difluorophenyl)-(1-ethyl-4-methoxypyrazol-5-yl)methanamine
CID 114657653
(2,4-dimethoxyphenyl)-(3-propyltriazol-4-yl)methanamine
CID 105038798
(1-ethyl-4-methoxypyrazol-5-yl)-(3-propoxyphenyl)methanamine
CID 105047835
1-(1-ethyl-4-methoxypyrazol-5-yl)-2-(4-methoxyphenyl)ethanol
CID 114643108
(1-ethyl-4-methoxypyrazol-5-yl)-(3-fluoro-5-methylphenyl)methanamine
CID 114659168

Frequently Asked Questions

What is the IUPAC name of (2,4-dimethoxyphenyl)-(1-ethyl-4-methoxypyrazol-5-yl)methanamine?
The IUPAC name of (2,4-dimethoxyphenyl)-(1-ethyl-4-methoxypyrazol-5-yl)methanamine (CID 105047931) is (2,4-dimethoxyphenyl)-(1-ethyl-4-methoxypyrazol-5-yl)methanamine.
What is the SMILES notation for (2,4-dimethoxyphenyl)-(1-ethyl-4-methoxypyrazol-5-yl)methanamine?
The canonical SMILES for (2,4-dimethoxyphenyl)-(1-ethyl-4-methoxypyrazol-5-yl)methanamine is CCn1ncc(OC)c1C(N)c1ccc(OC)cc1OC.
What is the InChIKey of (2,4-dimethoxyphenyl)-(1-ethyl-4-methoxypyrazol-5-yl)methanamine?
The InChIKey is TWJAOEVXZVDJBF-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H21N3O3/c1-5-18-15(13(21-4)9-17-18)14(16)11-7-6-10(19-2)8-12(11)20-3/h6-9,14H,5,16H2,1-4H3.
What are the key properties of (2,4-dimethoxyphenyl)-(1-ethyl-4-methoxypyrazol-5-yl)methanamine?
(2,4-dimethoxyphenyl)-(1-ethyl-4-methoxypyrazol-5-yl)methanamine has a molecular weight of 291.35 g/mol, XLogP of 1.98, 6 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for (2,4-dimethoxyphenyl)-(1-ethyl-4-methoxypyrazol-5-yl)methanamine is sourced from PubChem (CID 105047931), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).